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Information card for entry 4309565
Preview
| Coordinates | 4309565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | mer-trichlorotripyrazoloruthenium(III) |
|---|---|
| Formula | C9 H12 Cl3 N6 Ru |
| Calculated formula | C9 H12 Cl3 N6 Ru |
| SMILES | [Ru](Cl)(Cl)(Cl)([n]1[nH]ccc1)([n]1[nH]ccc1)[n]1[nH]ccc1 |
| Title of publication | Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes |
| Authors of publication | Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6704 - 6716 |
| a | 18.936 ± 0.004 Å |
| b | 8.028 ± 0.002 Å |
| c | 19.18 ± 0.004 Å |
| α | 90° |
| β | 91.64 ± 0.03° |
| γ | 90° |
| Cell volume | 2914.5 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179133 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/95. |
4309565.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309565.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309565.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309565.cif |
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